1-[4-[(3-chloro-2-fluorophenyl)methoxy]phenyl]propan-2-amine

C16H17ClFNO — CID 102855814

IUPAC1-[4-[(3-chloro-2-fluorophenyl)methoxy]phenyl]propan-2-amine
SMILESCC(N)Cc1ccc(OCc2cccc(Cl)c2F)cc1
InChIInChI=1S/C16H17ClFNO/c1-11(19)9-12-5-7-14(8-6-12)20-10-13-3-2-4-15(17)16(13)18/h2-8,11H,9-10,19H2,1H3
InChIKeyVLKQMQNUHMAPEL-UHFFFAOYSA-N
MW293.77 g/mol
LogP3.95
Rot. Bonds5

About 1-[4-[(3-chloro-2-fluorophenyl)methoxy]phenyl]propan-2-amine

1-[4-[(3-chloro-2-fluorophenyl)methoxy]phenyl]propan-2-amine (PubChem CID 102855814) has the molecular formula C16H17ClFNO and a molecular weight of 293.77 g/mol. Its IUPAC name is 1-[4-[(3-chloro-2-fluorophenyl)methoxy]phenyl]propan-2-amine.

Molecular Properties

Compound Name1-[4-[(3-chloro-2-fluorophenyl)methoxy]phenyl]propan-2-amine
PubChem CID102855814
Molecular FormulaC16H17ClFNO
Molecular Weight293.77 g/mol
Exact Mass293.10
IUPAC Name1-[4-[(3-chloro-2-fluorophenyl)methoxy]phenyl]propan-2-amine
SMILESCC(N)Cc1ccc(OCc2cccc(Cl)c2F)cc1
InChIInChI=1S/C16H17ClFNO/c1-11(19)9-12-5-7-14(8-6-12)20-10-13-3-2-4-15(17)16(13)18/h2-8,11H,9-10,19H2,1H3
InChIKeyVLKQMQNUHMAPEL-UHFFFAOYSA-N
XLogP3.95
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.77
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-bromo-5-[(3-chloro-2-fluorophenyl)methoxy]phenyl]propan-2-amine
CID 102858124
1-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]propan-2-amine
CID 61496605
(1S)-1-[4-[(3-chloro-2-fluorophenyl)methoxy]-2-fluorophenyl]ethanamine
CID 107718903
1-[3-[(3-chloro-2-fluorophenyl)methoxy]phenyl]butan-2-amine
CID 102858107
1-[4-[(2,3-difluorophenyl)methoxy]phenyl]propan-2-ol
CID 115495872
1-[4-[(3-chloro-2-fluorophenyl)methoxy]phenyl]propan-1-one
CID 102855973
1-[4-[(2-bromo-4-fluorophenyl)methoxy]phenyl]propan-2-amine
CID 60908405
2-(3-chloro-2-fluorophenyl)-1-(4-ethoxyphenyl)ethanamine
CID 82806691
4-[(3-chloro-2-fluorophenyl)methoxy]benzenecarboximidamide
CID 102856104
1-chloro-3-[[3-(chloromethyl)phenoxy]methyl]-2-fluorobenzene
CID 102856363
1-[4-[(2-fluoro-3-methoxyphenyl)methoxy]phenyl]propan-2-ol
CID 104792506
(NZ)-N-[1-[4-[(3-chloro-2-fluorophenyl)methoxy]phenyl]propylidene]hydroxylamine
CID 102856118

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(3-chloro-2-fluorophenyl)methoxy]phenyl]propan-2-amine?
The IUPAC name of 1-[4-[(3-chloro-2-fluorophenyl)methoxy]phenyl]propan-2-amine (CID 102855814) is 1-[4-[(3-chloro-2-fluorophenyl)methoxy]phenyl]propan-2-amine.
What is the SMILES notation for 1-[4-[(3-chloro-2-fluorophenyl)methoxy]phenyl]propan-2-amine?
The canonical SMILES for 1-[4-[(3-chloro-2-fluorophenyl)methoxy]phenyl]propan-2-amine is CC(N)Cc1ccc(OCc2cccc(Cl)c2F)cc1.
What is the InChIKey of 1-[4-[(3-chloro-2-fluorophenyl)methoxy]phenyl]propan-2-amine?
The InChIKey is VLKQMQNUHMAPEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClFNO/c1-11(19)9-12-5-7-14(8-6-12)20-10-13-3-2-4-15(17)16(13)18/h2-8,11H,9-10,19H2,1H3.
What are the key properties of 1-[4-[(3-chloro-2-fluorophenyl)methoxy]phenyl]propan-2-amine?
1-[4-[(3-chloro-2-fluorophenyl)methoxy]phenyl]propan-2-amine has a molecular weight of 293.77 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(3-chloro-2-fluorophenyl)methoxy]phenyl]propan-2-amine is sourced from PubChem (CID 102855814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).